2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanyl-1-propyl-pyrimidin-4-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanyl-1-propyl-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-hydroxy-1-propyl-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-hydroxy-1-propyl-4-pyrimidinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-hydroxy-1-propylpyrimidin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-hydroxy-1-propyl-pyrimidin-4-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC(=O)N2CCC3=CC=CC=C3C2)O

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC(=O)N2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C18H21N3O3S/c1-2-8-21-16(23)10-15(22)19-18(21)25-12-17(24)20-9-7-13-5-3-4-6-14(13)11-20/h3-6,10,23H,2,7-9,11-12H2,1H3